Metabolomics Structure Database

 
MW REGNO: 46204
Common Name:Elemicin
Systematic Name:1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene
RefMet Name:Elemicin
Synonyms: [PubChem Synonyms]
Exact Mass:
208.1099 (neutral)    Calculate m/z:
Formula:C12H16O3
InChIKey:BPLQKQKXWHCZSS-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenol ethers [C0002341]
ClassyFire subclass:Anisoles [C0000138]
ClassyFire direct parent:Anisoles [C0000138]
SMILES:C=CCc1cc(c(c(c1)OC)OC)OC
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo